[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone

C14H17N3O3S2 — CID 86265143

IUPAC[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C14H17N3O3S2/c1-16-8-5-15-14(16)22(19,20)12-2-6-17(7-3-12)13(18)11-4-9-21-10-11/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyPIEMUUAGYIKIIL-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.56
Rot. Bonds3

About [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone

[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 86265143) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID86265143
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C14H17N3O3S2/c1-16-8-5-15-14(16)22(19,20)12-2-6-17(7-3-12)13(18)11-4-9-21-10-11/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyPIEMUUAGYIKIIL-UHFFFAOYSA-N
XLogP1.56
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone (CID 86265143) is [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone is Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is PIEMUUAGYIKIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-16-8-5-15-14(16)22(19,20)12-2-6-17(7-3-12)13(18)11-4-9-21-10-11/h4-5,8-10,12H,2-3,6-7H2,1H3.
What are the key properties of [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone?
[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 339.44 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 86265143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).